SCHEMBL2116

SCHEMBL2116

CC(OC(=O)c1cc(CO)ccc1-c1ccccc1)[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.45
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PHGDH O43175 1/20 0.38
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37
KMT2A Q03164 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA3 P22001 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2126 0.84 SCN1A (0.48) SCN1ASCN2ASCN3ALTB4R2PDE7A
SCHEMBL2117 0.77 SCN1A (0.45) FOLH1SCN1ASCN2ASCN3ALTB4R
SCHEMBL3201 0.77 SCN1A (0.49) SCN1ASCN2ASCN3ALTB4R2PDE7A
SCHEMBL3431159 0.76 FOLH1 (0.53) FOLH1SCN1ASCN2ASCN3ALTB4R
SCHEMBL9407400 0.74 FOLH1 (0.75) FOLH1LTB4RLTB4R2PTPN2PTPN1
SCHEMBL2301 0.73 SCN1A (0.47) SCN1ASCN2ASCN3AKMT2ANPC1
SCHEMBL3019 0.71 ADRB3 (0.42) SCN1ASCN2ASCN3ALTB4R2PDCD1
SCHEMBL1614 0.70 SCN1A (0.47) SCN1ASCN2ASCN3ANPC1DRD3
SCHEMBL534889 0.69 KDM4E (0.50) FOLH1LTB4RLTB4R2KMT2APDCD1
SCHEMBL10512148 0.69 LOXL2 (0.51) FOLH1KMT2APDCD1CD274MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed